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Home > Boronic Acids > 501944-43-0
501944-43-0 | (4'-(Methoxycarbonyl)-[1,1'-biphenyl]-4-yl)boronic acid
CAS No: 501944-43-0 Catalog No: AG003KUB MDL No:MFCD18447530
Product Description
Catalog Number:
AG003KUB
Chemical Name:
(4'-(Methoxycarbonyl)-[1,1'-biphenyl]-4-yl)boronic acid
CAS Number:
501944-43-0
Molecular Formula:
C14H13BO4
Molecular Weight:
256.0616
MDL Number:
MFCD18447530
IUPAC Name:
[4-(4-methoxycarbonylphenyl)phenyl]boronic acid
InChI:
InChI=1S/C14H13BO4/c1-19-14(16)12-4-2-10(3-5-12)11-6-8-13(9-7-11)15(17)18/h2-9,17-18H,1H3
InChI Key:
OBHWJBMJYPCGPE-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(cc1)c1ccc(cc1)B(O)O
Properties
Complexity:
292
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.091g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
256.064g/mol
Monoisotopic Mass:
256.091g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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